#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h0t s ASP 2 N 0.00 3.65 0.01 4.52 1.01 -1.26 -5.11 116.67 119.49 1h0t s ASP 2 Ca 0.00 -2.14 0.01 0.00 0.71 0.00 0.00 52.55 51.13 1h0t s ASP 2 Cb 0.00 -0.83 -0.01 0.00 1.01 0.00 0.00 42.92 43.09 1h0t s ASP 2 CO 0.00 -0.33 -0.04 0.54 0.21 0.00 0.00 175.17 175.55 1h0t s ASN 3 N 1.01 0.44 0.28 0.27 4.22 -1.26 -5.05 114.94 114.84 1h0t s ASN 3 Ca 0.15 -0.23 0.02 0.00 -2.14 0.00 0.00 52.86 50.66 1h0t s ASN 3 Cb -0.21 -0.00 0.40 0.00 1.28 0.00 0.00 41.25 42.71 1h0t s ASN 3 CO -0.10 -0.06 1.71 0.07 -2.04 0.00 0.00 177.10 176.67 1h0t h LYS 4 N 5.53 0.47 -0.58 3.55 2.10 -2.02 -3.14 116.57 122.48 1h0t h LYS 4 Ca -0.29 -0.19 0.16 0.00 -2.00 0.00 0.00 60.65 58.34 1h0t h LYS 4 Cb 1.20 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.48 1h0t h LYS 4 CO 0.47 0.71 0.41 0.74 -2.00 0.00 0.00 179.45 179.78 1h0t h PHE 5 N 0.41 0.04 0.17 0.07 0.04 -1.97 -0.80 116.94 114.90 1h0t h PHE 5 Ca 0.06 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.82 1h0t h PHE 5 Cb 0.70 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 1h0t h PHE 5 CO 0.02 0.01 -0.18 -0.97 -0.60 0.00 0.00 178.31 176.60 1h0t h ASN 6 N 0.03 -0.50 0.26 2.17 -1.24 -1.88 -1.36 115.58 113.06 1h0t h ASN 6 Ca 0.28 0.04 -0.12 0.00 0.71 0.00 0.00 56.30 57.20 1h0t h ASN 6 Cb 1.06 0.17 -0.01 0.00 0.73 0.00 0.00 38.32 40.26 1h0t h ASN 6 CO -0.01 -0.24 -0.48 0.50 -1.29 0.00 0.00 177.43 175.91 1h0t h LYS 7 N -0.36 0.26 -0.85 6.67 3.64 -1.75 -2.94 116.57 121.24 1h0t h LYS 7 Ca -0.02 -0.14 0.17 0.00 -1.27 0.00 0.00 60.65 59.38 1h0t h LYS 7 Cb 0.31 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 1h0t h LYS 7 CO -0.03 0.69 0.56 0.93 -2.27 0.00 0.00 179.45 179.33 1h0t h GLU 8 N 0.21 0.49 -0.10 1.90 4.39 -1.02 0.76 114.58 121.21 1h0t h GLU 8 Ca 0.01 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 1h0t h GLU 8 Cb 0.93 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1h0t h GLU 8 CO 0.08 0.32 -0.06 1.96 -1.16 0.00 0.00 179.01 180.15 1h0t h GLN 9 N 0.50 0.21 -0.41 2.33 4.20 -1.06 0.40 115.11 121.28 1h0t h GLN 9 Ca 0.43 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.95 1h0t h GLN 9 Cb 0.92 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.68 1h0t h GLN 9 CO -0.17 0.58 -0.12 -0.56 -0.67 0.00 0.00 178.83 177.89 1h0t h GLN 10 N -0.16 0.74 -0.34 1.46 -0.00 -1.04 0.79 115.11 116.56 1h0t h GLN 10 Ca 0.02 -0.25 -0.07 0.00 -0.00 0.00 0.00 58.65 58.36 1h0t h GLN 10 Cb 0.53 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 27.93 1h0t h GLN 10 CO 0.02 0.83 -0.04 -0.97 -0.00 0.00 0.00 178.83 178.67 1h0t h ASN 11 N 0.67 0.63 -0.31 0.06 -1.24 0.51 0.47 115.58 116.37 1h0t h ASN 11 Ca 0.11 -0.34 -0.06 0.00 0.71 0.00 0.00 56.30 56.73 1h0t h ASN 11 Cb 0.59 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.46 1h0t h ASN 11 CO 0.04 0.82 -0.02 0.00 -1.29 0.00 0.00 177.43 176.97 1h0t h ALA 12 N 0.83 0.43 0.33 1.57 0.00 0.07 0.21 119.26 122.71 1h0t h ALA 12 Ca 0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1h0t h ALA 12 Cb 0.52 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1h0t h ALA 12 CO 0.03 0.20 -0.29 0.35 0.00 0.00 0.00 179.25 179.54 1h0t h PHE 13 N 0.36 -0.77 -0.01 0.00 3.57 0.73 0.51 116.94 121.33 1h0t h PHE 13 Ca 0.09 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.62 1h0t h PHE 13 Cb 0.48 0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.46 1h0t h PHE 13 CO 0.04 -0.42 -0.37 -0.92 -2.23 0.00 0.00 178.31 174.41 1h0t h TYR 14 N -0.64 -1.05 -0.79 0.41 3.20 0.03 0.47 116.97 118.61 1h0t h TYR 14 Ca -0.02 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.89 1h0t h TYR 14 Cb 0.56 0.46 -0.04 0.00 1.54 0.00 0.00 36.73 39.26 1h0t h TYR 14 CO -0.16 -0.46 0.53 0.93 -1.64 0.00 0.00 178.16 177.36 1h0t h GLU 15 N -0.52 1.04 -0.56 1.82 4.39 -0.36 0.42 114.58 120.81 1h0t h GLU 15 Ca 0.06 -0.06 0.08 0.00 0.34 0.00 0.00 59.36 59.78 1h0t h GLU 15 Cb 0.61 -0.24 -0.07 0.00 -0.10 0.00 0.00 28.75 28.96 1h0t h GLU 15 CO -0.30 0.69 0.20 0.82 -1.16 0.00 0.00 179.01 179.26 1h0t h ILE 16 N 1.07 0.79 -0.41 3.13 2.04 0.84 0.43 117.51 125.41 1h0t h ILE 16 Ca 0.29 -0.13 -0.14 0.00 1.00 0.00 0.00 64.86 65.88 1h0t h ILE 16 Cb -0.12 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 1h0t h ILE 16 CO -0.07 0.07 -0.30 -0.07 0.00 0.00 0.00 178.15 177.79 1h0t h LEU 17 N 0.38 0.94 -0.38 1.44 3.38 -0.06 -3.23 115.31 117.78 1h0t h LEU 17 Ca 0.28 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1h0t h LEU 17 Cb 0.33 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1h0t h LEU 17 CO -0.28 1.16 -0.33 0.45 0.09 0.00 0.00 178.44 179.53 1h0t h HIS 18 N 0.76 0.00 -2.09 1.13 3.86 0.90 -3.46 115.15 116.25 1h0t h HIS 18 Ca 0.08 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.69 1h0t h HIS 18 Cb 0.86 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.36 1h0t h HIS 18 CO 0.05 0.33 1.03 1.28 0.86 0.00 0.00 177.93 181.48 1h0t n LEU 19 N -3.26 3.37 0.30 2.43 4.77 0.14 -4.86 117.00 119.89 1h0t n LEU 19 Ca 0.02 1.00 0.20 0.00 -0.03 0.00 0.00 56.01 57.19 1h0t n LEU 19 Cb 0.60 -1.38 0.98 0.00 -2.33 0.00 0.00 43.42 41.28 1h0t n LEU 19 CO 0.37 -0.11 1.09 1.55 -1.33 0.00 0.00 177.39 178.97 1h0t h PRO 20 N 8.47 0.00 -0.24 3.23 0.13 -1.90 -2.92 132.00 138.77 1h0t h PRO 20 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1h0t h PRO 20 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1h0t h PRO 20 CO 0.93 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.79 1h0t n ASN 21 N -3.03 2.60 -4.75 1.44 3.02 -1.26 -4.98 115.26 108.30 1h0t n ASN 21 Ca -0.01 -1.91 -0.39 0.00 -0.03 0.00 0.00 54.58 52.23 1h0t n ASN 21 Cb 0.16 -0.16 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 1h0t n ASN 21 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1h0t s LEU 22 N -0.96 4.42 0.00 3.41 1.43 -1.10 -4.73 118.68 121.14 1h0t s LEU 22 Ca 0.17 1.31 0.03 0.00 -1.03 0.00 0.00 54.13 54.61 1h0t s LEU 22 Cb 0.09 -3.10 0.03 0.00 0.03 0.00 0.00 46.19 43.25 1h0t s LEU 22 CO 0.12 0.03 0.25 -0.46 0.23 0.00 0.00 176.35 176.52 1h0t n ASN 23 N 2.92 1.75 0.04 2.29 0.23 -1.26 -4.80 115.26 116.44 1h0t n ASN 23 Ca -0.04 -1.94 0.02 0.00 -0.53 0.00 0.00 54.58 52.08 1h0t n ASN 23 Cb 0.51 -0.06 0.36 0.00 -2.08 0.00 0.00 39.78 38.51 1h0t n ASN 23 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1h0t h GLU 24 N 0.00 0.42 -0.02 -3.83 4.11 -1.97 0.25 114.58 113.54 1h0t h GLU 24 Ca -0.17 -0.07 -0.00 0.00 0.07 0.00 0.00 59.36 59.18 1h0t h GLU 24 Cb 0.66 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1h0t h GLU 24 CO 0.27 0.44 -0.00 1.49 0.07 0.00 0.00 179.01 181.27 1h0t h GLU 25 N 0.41 0.04 0.12 1.06 4.81 -1.98 -2.17 114.58 116.88 1h0t h GLU 25 Ca 0.09 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1h0t h GLU 25 Cb 0.25 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1h0t h GLU 25 CO 0.00 0.38 -0.06 1.96 -0.73 0.00 0.00 179.01 180.56 1h0t h GLN 26 N -0.29 -0.16 -0.19 1.92 1.08 -1.91 -2.88 115.11 112.69 1h0t h GLN 26 Ca 0.01 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1h0t h GLN 26 Cb 0.36 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 1h0t h GLN 26 CO 0.00 0.27 0.08 -0.09 -0.95 0.00 0.00 178.83 178.14 1h0t h ARG 27 N -0.93 0.18 -0.53 1.46 2.43 -0.63 -0.97 114.38 115.39 1h0t h ARG 27 Ca -0.02 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 1h0t h ARG 27 Cb 0.50 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1h0t h ARG 27 CO 0.03 0.12 -0.09 -0.91 -1.51 0.00 0.00 179.97 177.61 1h0t h ASN 28 N 0.19 0.99 -0.66 -3.80 2.35 -1.53 -1.61 115.58 111.51 1h0t h ASN 28 Ca 0.08 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.47 1h0t h ASN 28 Cb 0.02 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 1h0t h ASN 28 CO -0.06 1.10 0.38 0.00 -1.65 0.00 0.00 177.43 177.20 1h0t h ALA 29 N 0.92 1.40 -0.49 -0.83 0.00 -1.38 -1.15 119.26 117.72 1h0t h ALA 29 Ca 0.14 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1h0t h ALA 29 Cb 0.65 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1h0t h ALA 29 CO 0.04 0.50 0.15 0.74 0.00 0.00 0.00 179.25 180.68 1h0t h PHE 30 N 0.93 0.79 0.00 0.00 0.04 -0.79 0.30 116.94 118.22 1h0t h PHE 30 Ca 0.24 -0.08 -0.03 0.00 2.80 0.00 0.00 57.97 60.90 1h0t h PHE 30 Cb 0.01 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 37.93 1h0t h PHE 30 CO 0.01 0.70 -0.13 0.82 -0.60 0.00 0.00 178.31 179.10 1h0t h ILE 31 N 0.66 0.91 0.01 -0.55 2.04 -0.60 0.65 117.51 120.63 1h0t h ILE 31 Ca 0.16 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1h0t h ILE 31 Cb 0.28 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1h0t h ILE 31 CO -0.00 0.13 -0.00 1.56 0.00 0.00 0.00 178.15 179.83 1h0t h GLN 32 N 0.00 -0.01 0.00 2.37 4.20 -0.10 -1.26 115.11 120.31 1h0t h GLN 32 Ca -0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 1h0t h GLN 32 Cb 0.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1h0t h GLN 32 CO 0.02 0.66 -0.29 0.66 -0.67 0.00 0.00 178.83 179.21 1h0t h SER 33 N -0.71 0.00 0.01 1.46 4.64 -0.62 -2.24 113.55 116.10 1h0t h SER 33 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1h0t h SER 33 Cb 0.68 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1h0t h SER 33 CO 0.00 0.29 -0.20 0.25 -0.87 0.00 0.00 176.83 176.30 1h0t h LEU 34 N 0.00 0.05 -0.84 5.97 5.85 0.28 -1.29 115.31 125.33 1h0t h LEU 34 Ca -0.00 -0.95 -0.12 0.00 0.84 0.00 0.00 57.88 57.65 1h0t h LEU 34 Cb 0.61 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1h0t h LEU 34 CO 0.04 1.09 -0.43 0.11 -0.34 0.00 0.00 178.44 178.90 1h0t h LYS 35 N -0.93 0.33 0.19 1.25 1.57 -1.28 -3.18 116.57 114.52 1h0t h LYS 35 Ca -0.05 -0.17 -0.32 0.00 -1.87 0.00 0.00 60.65 58.25 1h0t h LYS 35 Cb 1.09 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.42 1h0t h LYS 35 CO -0.00 0.70 -1.47 -0.44 -0.57 0.00 0.00 179.45 177.67 1h0t h ASP 36 N 0.27 0.62 -3.73 0.86 3.32 -1.54 -3.43 116.42 112.80 1h0t h ASP 36 Ca 0.02 -0.73 -0.67 0.00 0.02 0.00 0.00 57.03 55.68 1h0t h ASP 36 Cb 0.87 -0.20 -0.39 0.00 0.22 0.00 0.00 39.33 39.83 1h0t h ASP 36 CO 0.07 1.58 -0.73 -0.62 -1.72 0.00 0.00 179.24 177.82 1h0t s ASP 37 N -7.32 4.72 0.22 6.45 -1.08 -0.49 -4.99 116.67 114.18 1h0t s ASP 37 Ca -0.09 -1.93 -0.02 0.00 -0.52 0.00 0.00 52.55 49.99 1h0t s ASP 37 Cb 0.06 -1.62 0.22 0.00 -1.46 0.00 0.00 42.92 40.11 1h0t s ASP 37 CO 0.90 -0.34 1.60 1.55 0.52 0.00 0.00 175.17 179.40 1h0t h PRO 38 N 7.69 0.59 -0.46 4.34 0.13 -1.81 -3.28 132.00 139.20 1h0t h PRO 38 Ca -0.09 -0.29 -0.08 0.00 -0.87 0.00 0.00 66.00 64.67 1h0t h PRO 38 Cb 1.03 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 1h0t h PRO 38 CO 0.52 0.87 -0.05 0.77 -0.23 0.00 0.00 178.00 179.88 1h0t h SER 39 N 0.49 0.77 -0.03 1.44 0.02 -1.92 -2.72 113.55 111.60 1h0t h SER 39 Ca 0.05 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1h0t h SER 39 Cb 0.88 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1h0t h SER 39 CO 0.08 0.87 0.00 1.67 -1.14 0.00 0.00 176.83 178.31 1h0t n GLN 40 N -4.19 1.17 -0.16 3.45 -0.06 -1.24 -4.31 117.38 112.04 1h0t n GLN 40 Ca 0.02 -0.26 -0.02 0.00 -2.00 0.00 0.00 57.00 54.73 1h0t n GLN 40 Cb 0.33 -1.35 0.07 0.00 -4.06 0.00 0.00 30.24 25.24 1h0t n GLN 40 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1h0t h SER 41 N 0.55 0.13 -0.24 1.69 4.64 -1.55 0.50 113.55 119.25 1h0t h SER 41 Ca 0.00 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1h0t h SER 41 Cb 0.12 0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1h0t h SER 41 CO 0.00 0.10 0.10 0.00 -0.87 0.00 0.00 176.83 176.16 1h0t h ALA 42 N 1.36 0.31 -0.80 5.18 0.00 -1.80 -0.63 119.26 122.88 1h0t h ALA 42 Ca 0.25 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1h0t h ALA 42 Cb 0.29 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1h0t h ALA 42 CO -0.28 -0.10 0.52 -0.91 0.00 0.00 0.00 179.25 178.49 1h0t h ASN 43 N 0.24 0.74 -0.61 0.00 -0.26 -1.70 0.29 115.58 114.28 1h0t h ASN 43 Ca 0.08 0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.78 1h0t h ASN 43 Cb 0.17 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.25 1h0t h ASN 43 CO -0.01 0.46 0.20 -0.07 -1.06 0.00 0.00 177.43 176.95 1h0t h LEU 44 N 0.83 0.88 -0.31 1.61 3.38 0.73 0.64 115.31 123.07 1h0t h LEU 44 Ca 0.35 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 1h0t h LEU 44 Cb 0.30 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1h0t h LEU 44 CO -0.13 0.85 -0.16 0.25 0.09 0.00 0.00 178.44 179.34 1h0t h LEU 45 N 0.87 0.68 -0.44 1.67 5.85 0.17 0.38 115.31 124.50 1h0t h LEU 45 Ca 0.20 -0.41 0.05 0.00 0.84 0.00 0.00 57.88 58.55 1h0t h LEU 45 Cb 0.28 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1h0t h LEU 45 CO -0.01 0.95 0.18 0.00 -0.34 0.00 0.00 178.44 179.22 1h0t h ALA 46 N 0.76 0.53 -0.25 1.25 0.00 0.12 0.91 119.26 122.58 1h0t h ALA 46 Ca 0.07 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1h0t h ALA 46 Cb 0.70 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1h0t h ALA 46 CO 0.05 -0.20 -0.39 1.05 0.00 0.00 0.00 179.25 179.76 1h0t h GLU 47 N 0.36 0.58 -0.50 0.00 4.11 0.39 0.78 114.58 120.30 1h0t h GLU 47 Ca 0.20 -0.29 -0.08 0.00 0.07 0.00 0.00 59.36 59.26 1h0t h GLU 47 Cb 0.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1h0t h GLU 47 CO -0.18 0.87 -0.01 0.00 0.07 0.00 0.00 179.01 179.76 1h0t h ALA 48 N 1.10 1.04 -0.11 1.06 0.00 0.75 0.49 119.26 123.59 1h0t h ALA 48 Ca 0.04 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 1h0t h ALA 48 Cb 0.89 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1h0t h ALA 48 CO 0.08 0.60 -0.71 0.87 0.00 0.00 0.00 179.25 180.08 1h0t h LYS 49 N 0.79 0.50 -0.79 0.00 1.57 0.12 0.14 116.57 118.91 1h0t h LYS 49 Ca 0.15 -0.39 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 1h0t h LYS 49 Cb 0.48 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 1h0t h LYS 49 CO 0.02 1.02 0.43 -0.22 -0.57 0.00 0.00 179.45 180.13 1h0t h LYS 50 N 0.35 1.10 -0.14 3.15 3.64 0.11 -1.83 116.57 122.95 1h0t h LYS 50 Ca -0.03 -0.13 -0.19 0.00 -1.27 0.00 0.00 60.65 59.04 1h0t h LYS 50 Cb 1.29 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1h0t h LYS 50 CO 0.13 0.81 -0.67 -0.07 -2.27 0.00 0.00 179.45 177.37 1h0t h LEU 51 N 1.11 0.67 -0.94 5.20 4.07 0.37 -1.38 115.31 124.40 1h0t h LEU 51 Ca 0.28 -0.41 0.08 0.00 0.08 0.00 0.00 57.88 57.91 1h0t h LEU 51 Cb 0.03 -0.20 -0.07 0.00 1.08 0.00 0.00 40.66 41.51 1h0t h LEU 51 CO -0.04 1.16 0.59 -1.13 -1.08 0.00 0.00 178.44 177.93 1h0t h ASN 52 N 0.41 0.91 0.19 -0.43 -1.24 0.10 0.29 115.58 115.82 1h0t h ASN 52 Ca -0.02 0.02 -0.35 0.00 0.71 0.00 0.00 56.30 56.66 1h0t h ASN 52 Cb 1.26 -0.17 0.01 0.00 0.73 0.00 0.00 38.32 40.15 1h0t h ASN 52 CO 0.13 0.56 -1.73 0.44 -1.29 0.00 0.00 177.43 175.54 1h0t h ASP 53 N 1.03 0.62 0.17 1.15 3.32 -1.42 -2.69 116.42 118.61 1h0t h ASP 53 Ca 0.42 -0.94 -0.01 0.00 0.02 0.00 0.00 57.03 56.53 1h0t h ASP 53 Cb 0.25 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1h0t h ASP 53 CO -0.20 1.78 -0.08 0.00 -1.72 0.00 0.00 179.24 179.02 1h0t h ALA 54 N 0.10 -0.23 0.00 3.45 0.00 -1.05 -2.91 119.26 118.62 1h0t h ALA 54 Ca -0.34 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 1h0t h ALA 54 Cb 2.08 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.96 1h0t h ALA 54 CO 0.18 -0.50 -0.29 1.96 0.00 0.00 0.00 179.25 180.60 1h0t h GLN 55 N -0.50 0.00 -7.23 0.00 4.20 -0.61 -3.45 115.11 107.52 1h0t h GLN 55 Ca -0.02 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.16 1h0t h GLN 55 Cb 0.38 0.00 0.20 0.00 0.30 0.00 0.00 27.48 28.36 1h0t h GLN 55 CO 0.04 0.29 0.18 0.00 -0.67 0.00 0.00 178.83 178.67 1h0t n ALA 56 N -2.42 -0.85 -1.30 3.87 0.00 -1.01 -4.86 120.51 113.94 1h0t n ALA 56 Ca -0.02 -0.54 -0.38 0.00 0.00 0.00 0.00 53.44 52.50 1h0t n ALA 56 Cb 0.36 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 17.60 1h0t n ALA 56 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1h0t n PRO 57 N -3.99 3.58 0.00 0.00 -0.04 -1.26 -4.97 135.00 128.32 1h0t n PRO 57 Ca 0.12 -2.18 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 1h0t n PRO 57 Cb 0.52 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 1h0t n PRO 57 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82